#MD System 2.0 @Title neb0_image05 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.212878736567 0.527292264623 0.322448788778} C1 1 1 14 {} {0.266815832552 0.490308420406 0.28068611416} Si1 2 1 14 {} {0.166198240974 0.535753054341 0.241462324176} Si2 3 1 8 {} {0.279414246197 0.523377555056 0.182864516376} O1 4 1 8 {} {0.306780860988 0.51058740524 0.351594698912} O2 5 1 6 {} {0.264850487117 0.397123984235 0.273611860258} C2 6 1 6 {} {0.134653772974 0.456045502894 0.223729379693} C3 7 1 8 {} {0.190669346035 0.561619276485 0.147207331281} O3 8 1 8 {} {0.130853080984 0.596849612993 0.268395816563} O4 9 1 14 {} {0.358287741521 0.539479456261 0.356732152992} Si3 10 1 7 {} {0.392953635059 0.476566998019 0.398395802497} N1 11 1 14 {} {0.447120338869 0.474782061327 0.357010062091} Si4 12 1 14 {} {0.372616344499 0.422426544857 0.481217604289} Si5 13 1 7 {} {0.343499649964 0.460187166921 0.566556735966} N2 14 1 7 {} {0.468555018657 0.5548741375 0.362263683343} N3 15 1 1 {} {0.201280371708 0.498664037184 0.380922103419} H1 16 1 1 {} {0.220736133682 0.578115255919 0.346624406263} H2 17 1 1 {} {0.253900334853 0.543501126475 0.152090692792} H3 18 1 1 {} {0.259700280862 0.374126542285 0.339439836268} H4 19 1 1 {} {0.296568190856 0.378075904873 0.246872533833} H5 20 1 1 {} {0.238074162584 0.38000865364 0.228929600525} H6 21 1 1 {} {0.108138633469 0.462252856177 0.173670771818} H7 22 1 1 {} {0.11911617557 0.438306630877 0.285919048627} H8 23 1 1 {} {0.157060498089 0.416247775325 0.200103069039} H9 24 1 1 {} {0.172181900858 0.584710457582 0.103961997127} H10 25 1 1 {} {0.102462488117 0.58453368351 0.294482153848} H11 26 1 1 {} {0.374654283316 0.559469737667 0.266878852065} H12 27 1 1 {} {0.357145535544 0.598318588521 0.417736777186} H13 28 1 1 {} {0.471480968913 0.422811117999 0.409978616957} H14 29 1 1 {} {0.449582182989 0.457570631442 0.260570600592} H15 30 1 1 {} {0.341170783053 0.373232936379 0.440854827589} H16 31 1 1 {} {0.412114459411 0.388132764484 0.520386619395} H17 32 1 1 {} {0.311904879624 0.476677223697 0.55559179155} H18 33 1 1 {} {0.359512210399 0.490587074455 0.610522072124} H19 34 1 1 {} {0.492160274858 0.56958071704 0.317803741037} H20 35 1 1 {} {0.474402908067 0.576938369236 0.422110722571} H21 36 1 6 {} {0.647368766817 0.638577648292 0.490170210558} C4 37 1 14 {} {0.608011100775 0.574815336804 0.442533293257} Si6 38 1 14 {} {0.644962589641 0.725204547124 0.445354461136} Si7 39 1 8 {} {0.605384913152 0.583038932347 0.33279098451} O5 40 1 8 {} {0.627532861667 0.499941542915 0.466589296683} O6 41 1 6 {} {0.551320938799 0.581147755952 0.492374377316} C5 42 1 6 {} {0.597380318816 0.775651748528 0.49009301564} C6 43 1 8 {} {0.640618693704 0.714428038534 0.334871364167} O7 44 1 8 {} {0.692582359268 0.766558728513 0.461015323266} O8 45 1 14 {} {0.638097797759 0.422096156379 0.438653561573} Si8 46 1 7 {} {0.59283801165 0.369948723374 0.457031502137} N4 47 1 14 {} {0.573318021861 0.320538816779 0.368299010228} Si9 48 1 14 {} {0.567977879492 0.366574271989 0.562836657301} Si10 49 1 7 {} {0.603377784999 0.385343978656 0.650166058546} N5 50 1 7 {} {0.608231629297 0.257977277512 0.330929229585} N6 51 1 1 {} {0.643186810262 0.640070341583 0.563230830625} H22 52 1 1 {} {0.68141071339 0.619801615054 0.477750479186} H23 53 1 1 {} {0.617830874861 0.625307426092 0.310862389307} H24 54 1 1 {} {0.55107825825 0.571022341115 0.5643751055} H25 55 1 1 {} {0.529841042041 0.543650199082 0.460591264504} H26 56 1 1 {} {0.536490384351 0.630676953158 0.48074267393} H27 57 1 1 {} {0.596612518031 0.82607763409 0.460673976613} H28 58 1 1 {} {0.599425851657 0.781168805242 0.563033737346} H29 59 1 1 {} {0.565309748036 0.751503636988 0.47488978498} H30 60 1 1 {} {0.648677984442 0.751809983974 0.296925207329} H31 61 1 1 {} {0.692922336076 0.801585966106 0.505628336228} H32 62 1 1 {} {0.649675998418 0.417050308193 0.341940922018} H33 63 1 1 {} {0.677319477643 0.401747738228 0.493511532428} H34 64 1 1 {} {0.531481379041 0.288709861031 0.401174024877} H35 65 1 1 {} {0.565076424645 0.363543643049 0.288760725389} H36 66 1 1 {} {0.530938839384 0.415982091454 0.56966902066} H37 67 1 1 {} {0.550941208145 0.297132689931 0.575075271661} H38 68 1 1 {} {0.609915059161 0.433979460518 0.665250429324} H39 69 1 1 {} {0.630396333052 0.356218075354 0.663435028762} H40 70 1 1 {} {0.632858819146 0.26905758734 0.286767230229} H41 71 1 1 {} {0.617789136907 0.220227560253 0.372184124958} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end